Coumestrol
A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 479-13-0 | ChEBI ↗ |
| Molecular formula | C15H8O5 | ChEBI ↗ |
| Molar mass | 268.224 g/mol | ChEBI ↗ |
| Monoisotopic mass | 268.03717 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:3908 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 268.22 g/mol | PubChem ↗ |
| Exact mass | 268.03717335 Da | PubChem ↗ |
| Computed XLogP | 2.8 | PubChem ↗ |
| Topological polar surface area (Ų) | 79.9 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 5 | PubChem ↗ |
| Rotatable bonds | 0 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifiercoumestrol3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-oneZZIALNLLNHEQPJ-UHFFFAOYSA-NO=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17HNames & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 268.224 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.